1-[3-(diethylamino)-2-oxidanyl-propyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione

Systemtic Name: 1-[3-(diethylamino)-2-oxidanyl-propyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 1-[3-(diethylamino)-2-hydroxy-propyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 1-[3-(diethylamino)-2-hydroxypropyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 1-[3-(diethylamino)-2-hydroxypropyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 1-[3-(diethylamino)-2-hydroxy-propyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CCN(CC)CC(CN1C2=C(CCCC2)C(=S)N=C1C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H28N4O3S/c1-3-23(4-2)13-17(26)14-24-19-11-6-5-10-18(19)21(29)22-20(24)15-8-7-9-16(12-15)25(27)28/h7-9,12,17,26H,3-6,10-11,13-14H2,1-2H3