|
979 : Summary
Code
|
979
|
One-letter code
|
X
|
Molecule name
|
5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE
|
Synonyms
|
FURANOPYRIDIMIDINE 1
|
Systematic names
|
|
Formula
|
C24 H25 N5 O
|
Formal charge
|
0
|
Molecular weight
|
399.488 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5 |
SMILES
|
CACTVS |
3.341 |
C1CN(CCN1)CCNc2ncnc3oc(c4ccccc4)c(c5ccccc5)c23 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5 |
Canonical SMILES
|
CACTVS |
3.341 |
C1CN(CCN1)CCNc2ncnc3oc(c4ccccc4)c(c5ccccc5)c23 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5 |
|
IUPAC InChI | InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28) |
IUPAC InChI key | PTILEOLOGGMFCS-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
55 (30 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2007-01-12
|
Last modified at
|
2021-03-01
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|