9-[(1S)-1-phenylethyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine

Systemtic Name: 9-[(1S)-1-phenylethyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine Openeye Name: 9-[(1S)-1-phenylethyl]-2-(3-pyridyl)-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine CAS Name: 9-[(1S)-1-phenylethyl]-2-(3-pyridinyl)-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine IUPAC Name: 9-[(1S)-1-phenylethyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrimido[4,5-b]indol-4-amine Traditional Name: [9-[(1S)-1-phenylethyl]-2-(3-pyridyl)-5,6,7,8-tetrahydropyrimid[4,5-b]indol-4-yl]amine Formula: C23H23N5 MolecularWeight: 369.46222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(CCCC3)C4=C2N=C(N=C4N)C5=CN=CC=C5

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C3=C(CCCC3)C4=C2N=C(N=C4N)C5=CN=CC=C5

InChI

InChI=1S/C23H23N5/c1-15(16-8-3-2-4-9-16)28-19-12-6-5-11-18(19)20-21(24)26-22(27-23(20)28)17-10-7-13-25-14-17/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H2,24,26,27)/t15-/m0/s1