1,7-dicyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,7-dicyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,7-dicyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,7-dicyclopropyl-5-[[(1S)-1-phenylethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,7-dicyclopropyl-5-[(1S)-1-phenylethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,7-dicyclopropyl-5-[[(1S)-1-phenylethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)NC(=O)N3C4CC4)C5CC5

InChI

InChI=1S/C20H20N4O2S/c1-11(12-5-3-2-4-6-12)27-19-15-17(21-16(22-19)13-7-8-13)24(14-9-10-14)20(26)23-18(15)25/h2-6,11,13-14H,7-10H2,1H3,(H,23,25,26)/t11-/m0/s1