1-methyl-3-(3-oxidanylpropyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(3-oxidanylpropyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-(3-hydroxypropyl)-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-(3-hydroxypropyl)-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-(3-hydroxypropyl)-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(3-hydroxypropyl)-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCO)N3CCCN(C3=N2)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCO)N3CCCN(C3=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O3/c1-22-17-16(18(27)25(20(22)28)12-6-14-26)24-11-5-10-23(19(24)21-17)13-9-15-7-3-2-4-8-15/h2-4,7-8,26H,5-6,9-14H2,1H3