[4-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-6-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-6-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-6-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-6-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-6-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-6-nitro-phenyl)methanone Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N2CCC3=C(C2)C(=NC=N3)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N2CCC3=C(C2)C(=NC=N3)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H18N6O3S/c1-13-5-4-7-17(28(30)31)19(13)21(29)27-10-9-15-14(11-27)20(24-12-23-15)26-22-25-16-6-2-3-8-18(16)32-22/h2-8,12H,9-11H2,1H3,(H,23,24,25,26)