N-(2,2-dimethyloxan-4-yl)-N-(1-phenylethyl)-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-(2,2-dimethyloxan-4-yl)-N-(1-phenylethyl)-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-(2,2-dimethyltetrahydropyran-4-yl)-N-(1-phenylethyl)-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-(2,2-dimethyl-4-oxanyl)-N-(1-phenylethyl)-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-(2,2-dimethyloxan-4-yl)-N-(1-phenylethyl)-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (2,2-dimethyltetrahydropyran-4-yl)-(1-phenylethyl)-(5H-pyrimid[5,4-b]indol-4-yl)amine Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

CC(C1=CC=CC=C1)N(C2CCOC(C2)(C)C)C3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C25H28N4O/c1-17(18-9-5-4-6-10-18)29(19-13-14-30-25(2,3)15-19)24-23-22(26-16-27-24)20-11-7-8-12-21(20)28-23/h4-12,16-17,19,28H,13-15H2,1-3H3