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

Systemtic Name: (6S)-2-azanyl-5-cyclopropyl-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)-2-thienyl]-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)-2-thiophenyl]-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-[5-(3-prop-1-ynylphenyl)-2-thienyl]-5H-pyrimidin-4-one Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CC=C1)C2=CC=C(S2)C3(C(C(=O)N(C(=N3)N)C)C4CC4)C

Isomeric SMILES

CC#CC1=CC(=CC=C1)C2=CC=C(S2)[C@@]3(C(C(=O)N(C(=N3)N)C)C4CC4)C

InChI

InChI=1S/C22H23N3OS/c1-4-6-14-7-5-8-16(13-14)17-11-12-18(27-17)22(2)19(15-9-10-15)20(26)25(3)21(23)24-22/h5,7-8,11-13,15,19H,9-10H2,1-3H3,(H2,23,24)/t19?,22-/m1/s1