3-[(E)-(3-iodanylphenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[(E)-(3-iodanylphenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(E)-(3-iodophenyl)methyleneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[(E)-(3-iodophenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[(E)-(3-iodophenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[(E)-(3-iodobenzylidene)amino]-8-methoxy-5H-pyrimid[5,4-b]indol-4-one Formula: C18H13IN4O2 MolecularWeight: 444.22589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)N=CC4=CC(=CC=C4)I

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)/N=C/C4=CC(=CC=C4)I

InChI

InChI=1S/C18H13IN4O2/c1-25-13-5-6-15-14(8-13)16-17(22-15)18(24)23(10-20-16)21-9-11-3-2-4-12(19)7-11/h2-10,22H,1H3/b21-9+