N-butyl-7,8-dimethoxy-N-(thiophen-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-butyl-7,8-dimethoxy-N-(thiophen-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-butyl-7,8-dimethoxy-N-(2-thienylmethyl)-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-butyl-7,8-dimethoxy-N-(thiophen-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-butyl-7,8-dimethoxy-N-(thiophen-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: butyl-(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)-(2-thenyl)amine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCCCN(CC1=CC=CS1)C2=NC=NC3=C2NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C21H24N4O2S/c1-4-5-8-25(12-14-7-6-9-28-14)21-20-19(22-13-23-21)15-10-17(26-2)18(27-3)11-16(15)24-20/h6-7,9-11,13,24H,4-5,8,12H2,1-3H3