8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-2-(diethylamino)-1-methyl-purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-but-2-ynyl-2-(diethylamino)-1-methyl-purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-but-2-ynyl-2-(diethylamino)-1-methyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-7-but-2-ynyl-2-(diethylamino)-1-methyl-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-2-(diethylamino)-1-methylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-but-2-ynyl-2-(diethylamino)-1-methyl-purin-6-one Formula: C19H29N7O MolecularWeight: 371.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(C(=O)N1C)N(C(=N2)N3CCCC(C3)N)CC#CC

Isomeric SMILES

CCN(CC)C1=NC2=C(C(=O)N1C)N(C(=N2)N3CCCC(C3)N)CC#CC

InChI

InChI=1S/C19H29N7O/c1-5-8-12-26-15-16(22-19(26)25-11-9-10-14(20)13-25)21-18(23(4)17(15)27)24(6-2)7-3/h14H,6-7,9-13,20H2,1-4H3