(2S)-3-methyl-2-[[2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]amino]butan-1-ol

Systemtic Name: (2S)-3-methyl-2-[[2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]amino]butan-1-ol Openeye Name: (2S)-2-[(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]-3-methyl-butan-1-ol CAS Name: (2S)-3-methyl-2-[[2-(phenylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]amino]-1-butanol IUPAC Name: (2S)-2-[(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]-3-methylbutan-1-ol Traditional Name: (2S)-2-[(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimid[4,5-d]azepin-4-yl)amino]-3-methyl-butan-1-ol Formula: C20H28N4O MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC(=NC2=C1CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](CO)NC1=NC(=NC2=C1CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O/c1-14(2)18(13-25)23-20-16-8-10-21-11-9-17(16)22-19(24-20)12-15-6-4-3-5-7-15/h3-7,14,18,21,25H,8-13H2,1-2H3,(H,22,23,24)/t18-/m1/s1