4,7,8-trimethyl-2-(3-oxidanylpropyl)-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-2-(3-oxidanylpropyl)-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-6-isopropyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4,7,8-trimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-4,7,8-trimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-6-isopropyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CCCO)C(C)C)C

Isomeric SMILES

CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CCCO)C(C)C)C

InChI

InChI=1S/C16H23N5O3/c1-9(2)20-10(3)11(4)21-12-13(17-15(20)21)18(5)16(24)19(14(12)23)7-6-8-22/h9,22H,6-8H2,1-5H3