(5R,6S)-2-azanyl-3,5,6-trimethyl-6-[5-methyl-4-(3-prop-1-ynylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one

Systemtic Name: (5R,6S)-2-azanyl-3,5,6-trimethyl-6-[5-methyl-4-(3-prop-1-ynylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one Openeye Name: (5R,6S)-2-amino-3,5,6-trimethyl-6-[5-methyl-4-(3-prop-1-ynylphenyl)-2-thienyl]-5H-pyrimidin-4-one CAS Name: (5R,6S)-2-amino-3,5,6-trimethyl-6-[5-methyl-4-(3-prop-1-ynylphenyl)-2-thiophenyl]-5H-pyrimidin-4-one IUPAC Name: (5R,6S)-2-amino-3,5,6-trimethyl-6-[5-methyl-4-(3-prop-1-ynylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one Traditional Name: (5R,6S)-2-amino-3,5,6-trimethyl-6-[5-methyl-4-(3-prop-1-ynylphenyl)-2-thienyl]-5H-pyrimidin-4-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CC=C1)C2=C(SC(=C2)C3(C(C(=O)N(C(=N3)N)C)C)C)C

Isomeric SMILES

CC#CC1=CC(=CC=C1)C2=C(SC(=C2)[C@@]3([C@H](C(=O)N(C(=N3)N)C)C)C)C

InChI

InChI=1S/C21H23N3OS/c1-6-8-15-9-7-10-16(11-15)17-12-18(26-14(17)3)21(4)13(2)19(25)24(5)20(22)23-21/h7,9-13H,1-5H3,(H2,22,23)/t13-,21-/m0/s1