2-[[[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[1-[(3S)-1,1-dioxo-3-thiolanyl]-3,5-dimethyl-4-pyrazolyl]methyl-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[1-[(3S)-1,1-diketothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C20H25N5O3S MolecularWeight: 415.5092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=NN1[C@H]2CCS(=O)(=O)C2)C)CN(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H25N5O3S/c1-13-17(14(2)25(23-13)15-8-9-29(27,28)12-15)10-24(3)11-19-21-18-7-5-4-6-16(18)20(26)22-19/h4-7,15H,8-12H2,1-3H3,(H,21,22,26)/t15-/m0/s1