2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-benzyl-6-morpholino-quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-6-(4-morpholinyl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-benzyl-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-benzyl-6-morpholino-quinazolin-4-one Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5)N

InChI

InChI=1S/C25H26N6O3S/c1-17-13-22(26)28-31(17)23(32)16-35-25-27-21-8-7-19(29-9-11-34-12-10-29)14-20(21)24(33)30(25)15-18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3,(H2,26,28)