3-[1-[4-[2-azanyl-3-(2-methyl-1,3-thiazol-4-yl)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-2-yl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

Systemtic Name: 3-[1-[4-[2-azanyl-3-(2-methyl-1,3-thiazol-4-yl)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-2-yl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one Openeye Name: 3-[1-[4-[2-amino-3-(2-methylthiazol-4-yl)propanoyl]-3-(oxomethylene)-1-(4-pyridyl)piperazin-2-yl]-4-piperidyl]-1,4-dihydroquinazolin-2-one CAS Name: 3-[1-[4-[2-amino-3-(2-methyl-4-thiazolyl)-1-oxopropyl]-3-(oxomethylidene)-1-pyridin-4-yl-2-piperazinyl]-4-piperidinyl]-1,4-dihydroquinazolin-2-one IUPAC Name: 3-[1-[4-[2-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoyl]-3-(oxomethylidene)-1-pyridin-4-ylpiperazin-2-yl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one Traditional Name: 3-[1-[4-[2-amino-3-(2-methylthiazol-4-yl)propanoyl]-3-(ketomethylene)-1-(4-pyridyl)piperazin-2-yl]-4-piperidyl]-1,4-dihydroquinazolin-2-one Formula: C30H34N8O3S MolecularWeight: 586.70776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CC(C(=O)N2CCN(C(C2=C=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6=CC=NC=C6)N

Isomeric SMILES

CC1=NC(=CS1)CC(C(=O)N2CCN(C(C2=C=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6=CC=NC=C6)N

InChI

InChI=1S/C30H34N8O3S/c1-20-33-22(19-42-20)16-25(31)29(40)37-15-14-36(23-6-10-32-11-7-23)28(27(37)18-39)35-12-8-24(9-13-35)38-17-21-4-2-3-5-26(21)34-30(38)41/h2-7,10-11,19,24-25,28H,8-9,12-17,31H2,1H3,(H,34,41)