3-cyclopropyl-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 3-cyclopropyl-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopropyl-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-cyclopropyl-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-cyclopropyl-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-cyclopropyl-6-keto-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-olate Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=C(N(C(=S)NC4=O)C5CC5)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2CC[NH2+][C@@H]3C4=C(N(C(=S)NC4=O)C5CC5)[O-]

InChI

InChI=1S/C19H20N4O3S/c1-26-10-4-5-13-12(8-10)11-6-7-20-16(15(11)21-13)14-17(24)22-19(27)23(18(14)25)9-2-3-9/h4-5,8-9,16,20-21,25H,2-3,6-7H2,1H3,(H,22,24,27)/t16-/m1/s1