3-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]-8-methoxy-1,4-dihydroquinazolin-2-one

Systemtic Name: 3-[1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidin-4-yl]-8-methoxy-1,4-dihydroquinazolin-2-one Openeye Name: 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]-8-methoxy-1,4-dihydroquinazolin-2-one CAS Name: 3-[1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-4-piperidinyl]-8-methoxy-1,4-dihydroquinazolin-2-one IUPAC Name: 3-[1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidin-4-yl]-8-methoxy-1,4-dihydroquinazolin-2-one Traditional Name: 3-[1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-4-piperidyl]-8-methoxy-1,4-dihydroquinazolin-2-one Formula: C24H24ClN7O4 MolecularWeight: 509.94486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC(=O)N(C2)C3CCN(CC3)C4=NC(=NC=C4[N+](=O)[O-])NC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC2=C1NC(=O)N(C2)C3CCN(CC3)C4=NC(=NC=C4[N+](=O)[O-])NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H24ClN7O4/c1-36-20-4-2-3-15-14-31(24(33)28-21(15)20)18-9-11-30(12-10-18)22-19(32(34)35)13-26-23(29-22)27-17-7-5-16(25)6-8-17/h2-8,13,18H,9-12,14H2,1H3,(H,28,33)(H,26,27,29)