4-[[4-azanylidene-3-(2-hydroxyethyl)pyrimido[5,4-d]pyrimidin-8-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanylidene-3-(2-hydroxyethyl)pyrimido[5,4-d]pyrimidin-8-yl]amino]benzenecarbonitrile Openeye Name: 4-[[3-(2-hydroxyethyl)-4-imino-pyrimido[5,4-d]pyrimidin-8-yl]amino]benzonitrile CAS Name: 4-[[3-(2-hydroxyethyl)-4-imino-8-pyrimido[5,4-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[3-(2-hydroxyethyl)-4-iminopyrimido[5,4-d]pyrimidin-8-yl]amino]benzonitrile Traditional Name: 4-[[3-(2-hydroxyethyl)-4-imino-pyrimido[5,4-d]pyrimidin-8-yl]amino]benzonitrile Formula: C15H13N7O MolecularWeight: 307.31002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=NC3=C2N=CN(C3=N)CCO

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=NC3=C2N=CN(C3=N)CCO

InChI

InChI=1S/C15H13N7O/c16-7-10-1-3-11(4-2-10)21-15-13-12(18-8-19-15)14(17)22(5-6-23)9-20-13/h1-4,8-9,17,23H,5-6H2,(H,18,19,21)