(4S,6R)-6-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide

Systemtic Name: (4S,6R)-6-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide Openeye Name: (4S,6R)-6-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-thioxo-hexahydropyrimidine-4-carboxamide CAS Name: (4S,6R)-6-methyl-N-[[4-(3-phenylpropylamino)-2-quinazolinyl]methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide IUPAC Name: (4S,6R)-6-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide Traditional Name: (4S,6R)-6-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-thioxo-hexahydropyrimidine-4-carboxamide Formula: C24H28N6OS MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1)C(=O)NCC2=NC3=CC=CC=C3C(=N2)NCCCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C[C@H](NC(=S)N1)C(=O)NCC2=NC3=CC=CC=C3C(=N2)NCCCC4=CC=CC=C4

InChI

InChI=1S/C24H28N6OS/c1-16-14-20(29-24(32)27-16)23(31)26-15-21-28-19-12-6-5-11-18(19)22(30-21)25-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,16,20H,7,10,13-15H2,1H3,(H,26,31)(H,25,28,30)(H2,27,29,32)/t16-,20+/m1/s1