5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-hexyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-hexyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-hexyl-5-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-7-hexyl-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-hexyl-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-hexyl-5-[(2-indolin-1-yl-2-keto-ethyl)thio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C26H33N5O3S MolecularWeight: 495.63692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(C(=N1)SCC(=O)N3CCC4=CC=CC=C43)C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCCCC1=NC2=C(C(=N1)SCC(=O)N3CCC4=CC=CC=C43)C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C26H33N5O3S/c1-4-6-7-8-13-20-27-23-22(25(33)29(3)26(34)31(23)15-5-2)24(28-20)35-17-21(32)30-16-14-18-11-9-10-12-19(18)30/h9-12H,4-8,13-17H2,1-3H3