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

Systemtic Name: 4-[(4-azanylidene-3-phenylmethoxy-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzenecarbonitrile hydrochloride Openeye Name: 4-[(3-benzyloxy-4-imino-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile hydrochloride CAS Name: 4-[(4-imino-3-phenylmethoxy-8-pyrimido[5,4-d]pyrimidinyl)amino]benzonitrile hydrochloride IUPAC Name: 4-[(4-imino-3-phenylmethoxypyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile hydrochloride Traditional Name: 4-[(3-benzoxy-4-imino-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile hydrochloride Formula: C20H16ClN7O MolecularWeight: 405.84034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CON2C=NC3=C(C2=N)N=CN=C3NC4=CC=C(C=C4)C#N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CON2C=NC3=C(C2=N)N=CN=C3NC4=CC=C(C=C4)C#N.Cl

InChI

InChI=1S/C20H15N7O.ClH/c21-10-14-6-8-16(9-7-14)26-20-18-17(23-12-24-20)19(22)27(13-25-18)28-11-15-4-2-1-3-5-15;/h1-9,12-13,22H,11H2,(H,23,24,26);1H