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6-[(3S)-3-(phenylmethoxymethyl)piperazin-1-yl]-7,9-dihydropurin-8-one
6-[(3S)-3-(phenylmethoxymethyl)piperazin-1-yl]-7,9-dihydropurin-8-one
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Descriptors Computed from Structure
Canonical SMILES:
C1CN(CC(N1)COCC2=CC=CC=C2)C3=NC=NC4=C3NC(=O)N4
Isomeric SMILES
C1CN(C[C@H](N1)COCC2=CC=CC=C2)C3=NC=NC4=C3NC(=O)N4
InChI
InChI=1S/C17H20N6O2/c24-17-21-14-15(22-17)19-11-20-16(14)23-7-6-18-13(8-23)10-25-9-12-4-2-1-3-5-12/h1-5,11,13,18H,6-10H2,(H2,19,20,21,22,24)/t13-/m0/s1
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