4-azanyl-N-[4-methyl-5-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-azanyl-N-[4-methyl-5-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]butanamide Openeye Name: 4-amino-N-[4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiazol-2-yl]butanamide CAS Name: 4-amino-N-[4-methyl-5-[2-(3-nitroanilino)-4-pyrimidinyl]-2-thiazolyl]butanamide IUPAC Name: 4-amino-N-[4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]butanamide Traditional Name: 4-amino-N-[4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiazol-2-yl]butyramide Formula: C18H19N7O3S MolecularWeight: 413.45356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O3S/c1-11-16(29-18(21-11)24-15(26)6-3-8-19)14-7-9-20-17(23-14)22-12-4-2-5-13(10-12)25(27)28/h2,4-5,7,9-10H,3,6,8,19H2,1H3,(H,20,22,23)(H,21,24,26)