(4-azanyl-2,7-diethoxy-5-phenyl-pyrido[2,3-d]pyrimidin-6-yl) thiocyanate

Systemtic Name: (4-azanyl-2,7-diethoxy-5-phenyl-pyrido[2,3-d]pyrimidin-6-yl) thiocyanate Openeye Name: (4-amino-2,7-diethoxy-5-phenyl-pyrido[2,3-d]pyrimidin-6-yl) thiocyanate CAS Name: thiocyanic acid (4-amino-2,7-diethoxy-5-phenyl-6-pyrido[2,3-d]pyrimidinyl) ester IUPAC Name: (4-amino-2,7-diethoxy-5-phenylpyrido[2,3-d]pyrimidin-6-yl) thiocyanate Traditional Name: thiocyanic acid (4-amino-2,7-diethoxy-5-phenyl-pyrido[2,3-d]pyrimidin-6-yl) ester Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=NC(=NC2=N1)OCC)N)C3=CC=CC=C3)SC#N

Isomeric SMILES

CCOC1=C(C(=C2C(=NC(=NC2=N1)OCC)N)C3=CC=CC=C3)SC#N

InChI

InChI=1S/C18H17N5O2S/c1-3-24-17-14(26-10-19)12(11-8-6-5-7-9-11)13-15(20)21-18(25-4-2)23-16(13)22-17/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)