4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-[(3-nitrophenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-[(3-nitrophenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-methyl-2-(methylamino)thiazol-5-yl]-2-(3-nitroanilino)pyrimidine-5-carbonitrile CAS Name: 4-[4-methyl-2-(methylamino)-5-thiazolyl]-2-(3-nitroanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-(3-nitroanilino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-methyl-2-(methylamino)thiazol-5-yl]-2-(3-nitroanilino)pyrimidine-5-carbonitrile Formula: C16H13N7O2S MolecularWeight: 367.38512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC)C2=NC(=NC=C2C#N)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NC)C2=NC(=NC=C2C#N)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O2S/c1-9-14(26-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(6-11)23(24)25/h3-6,8H,1-2H3,(H,18,20)(H,19,21,22)