2-[3-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]propyl]isoindoline-1,3-quinone Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC(=O)C=C(N3C4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC(=O)C=C(N3C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C21H17ClN4O3S/c22-13-6-8-14(9-7-13)26-17(23)12-18(27)24-21(26)30-11-3-10-25-19(28)15-4-1-2-5-16(15)20(25)29/h1-2,4-9,12H,3,10-11,23H2