(6S)-2-azanyl-6-[2-(3-but-2-ynoxyphenyl)pyridin-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one

Systemtic Name: (6S)-2-azanyl-6-[2-(3-but-2-ynoxyphenyl)pyridin-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-6-[2-(3-but-2-ynoxyphenyl)-4-pyridyl]-3,6-dimethyl-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-6-[2-(3-but-2-ynoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-6-[2-(3-but-2-ynoxyphenyl)pyridin-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-6-[2-(3-but-2-ynoxyphenyl)-4-pyridyl]-3,6-dimethyl-5H-pyrimidin-4-one Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC(=C1)C2=NC=CC(=C2)C3(CC(=O)N(C(=N3)N)C)C

Isomeric SMILES

CC#CCOC1=CC=CC(=C1)C2=NC=CC(=C2)[C@@]3(CC(=O)N(C(=N3)N)C)C

InChI

InChI=1S/C21H22N4O2/c1-4-5-11-27-17-8-6-7-15(12-17)18-13-16(9-10-23-18)21(2)14-19(26)25(3)20(22)24-21/h6-10,12-13H,11,14H2,1-3H3,(H2,22,24)/t21-/m0/s1