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

Systemtic Name: N-[4-methyl-5-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-morpholin-4-yl-propanamide Openeye Name: N-[4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiazol-2-yl]-3-morpholino-propanamide CAS Name: N-[4-methyl-5-[2-(3-nitroanilino)-4-pyrimidinyl]-2-thiazolyl]-3-(4-morpholinyl)propanamide IUPAC Name: N-[4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-morpholin-4-ylpropanamide Traditional Name: N-[4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiazol-2-yl]-3-morpholino-propionamide Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCN2CCOCC2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCN2CCOCC2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O4S/c1-14-19(33-21(23-14)26-18(29)6-8-27-9-11-32-12-10-27)17-5-7-22-20(25-17)24-15-3-2-4-16(13-15)28(30)31/h2-5,7,13H,6,8-12H2,1H3,(H,22,24,25)(H,23,26,29)