2-azanyl-5-[[6-[(4-oxidanylcyclohexyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[[6-[(4-oxidanylcyclohexyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 2-amino-5-[[6-[(4-hydroxycyclohexyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 2-amino-5-[[6-[(4-hydroxycyclohexyl)amino]-4-pyrimido[5,4-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 2-amino-5-[[6-[(4-hydroxycyclohexyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 2-amino-5-[[6-[(4-hydroxycyclohexyl)amino]pyrimido[5,4-d]pyrimidin-4-yl]amino]benzonitrile Formula: C19H20N8O MolecularWeight: 376.4151

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)N)C#N)O

Isomeric SMILES

C1CC(CCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)N)C#N)O

InChI

InChI=1S/C19H20N8O/c20-8-11-7-13(3-6-15(11)21)25-18-17-16(23-10-24-18)9-22-19(27-17)26-12-1-4-14(28)5-2-12/h3,6-7,9-10,12,14,28H,1-2,4-5,21H2,(H,22,26,27)(H,23,24,25)