3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-N-[(8-methyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-N-[(8-methyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]propanamide Openeye Name: 3-[(1,1-dioxothiolan-3-yl)-methyl-amino]-N-[(8-methyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]propanamide CAS Name: 3-[(1,1-dioxo-3-thiolanyl)-methylamino]-N-[[8-methyl-4-(1-pyrrolidinyl)-2-quinazolinyl]methyl]propanamide IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]propanamide Traditional Name: 3-[(1,1-diketothiolan-3-yl)-methyl-amino]-N-[(8-methyl-4-pyrrolidino-quinazolin-2-yl)methyl]propionamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2N3CCCC3)CNC(=O)CCN(C)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2N3CCCC3)CNC(=O)CCN(C)C4CCS(=O)(=O)C4

InChI

InChI=1S/C22H31N5O3S/c1-16-6-5-7-18-21(16)24-19(25-22(18)27-10-3-4-11-27)14-23-20(28)8-12-26(2)17-9-13-31(29,30)15-17/h5-7,17H,3-4,8-15H2,1-2H3,(H,23,28)