6-azanyl-5-[(4-butoxyphenyl)methylideneamino]-1-(4-chlorophenyl)-2-oxidanylidene-pyrimidine-4-carbonitrile

Systemtic Name: 6-azanyl-5-[(4-butoxyphenyl)methylideneamino]-1-(4-chlorophenyl)-2-oxidanylidene-pyrimidine-4-carbonitrile Openeye Name: 6-amino-5-[(4-butoxyphenyl)methyleneamino]-1-(4-chlorophenyl)-2-oxo-pyrimidine-4-carbonitrile CAS Name: 6-amino-5-[(4-butoxyphenyl)methylideneamino]-1-(4-chlorophenyl)-2-oxo-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-5-[(4-butoxyphenyl)methylideneamino]-1-(4-chlorophenyl)-2-oxopyrimidine-4-carbonitrile Traditional Name: 6-amino-5-[(4-butoxybenzylidene)amino]-1-(4-chlorophenyl)-2-keto-pyrimidine-4-carbonitrile Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NC2=C(N(C(=O)N=C2C#N)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=NC2=C(N(C(=O)N=C2C#N)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C22H20ClN5O2/c1-2-3-12-30-18-10-4-15(5-11-18)14-26-20-19(13-24)27-22(29)28(21(20)25)17-8-6-16(23)7-9-17/h4-11,14H,2-3,12,25H2,1H3