4-[2-azanyl-1-methyl-5-oxidanylidene-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-propyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[2-azanyl-1-methyl-5-oxidanylidene-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-propyl-pyrrole-2-carbonitrile Openeye Name: 4-[2-amino-1-methyl-5-oxo-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-propyl-pyrrole-2-carbonitrile CAS Name: 4-[2-amino-1-methyl-5-oxo-4-[3-(5-pyrimidinyl)phenyl]-4-imidazolyl]-1-propyl-2-pyrrolecarbonitrile IUPAC Name: 4-[2-amino-1-methyl-5-oxo-4-(3-pyrimidin-5-ylphenyl)imidazol-4-yl]-1-propylpyrrole-2-carbonitrile Traditional Name: 4-[2-amino-5-keto-1-methyl-4-[3-(5-pyrimidyl)phenyl]-2-imidazolin-4-yl]-1-propyl-pyrrole-2-carbonitrile Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C#N)C2(C(=O)N(C(=N2)N)C)C3=CC=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

CCCN1C=C(C=C1C#N)C2(C(=O)N(C(=N2)N)C)C3=CC=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C22H21N7O/c1-3-7-29-13-18(9-19(29)10-23)22(20(30)28(2)21(24)27-22)17-6-4-5-15(8-17)16-11-25-14-26-12-16/h4-6,8-9,11-14H,3,7H2,1-2H3,(H2,24,27)