8-[1-[(5-chloranylthiophen-2-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-[(5-chloranylthiophen-2-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[(5-chloro-2-thienyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(5-chloro-2-thiophenyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(5-chlorothiophen-2-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-[(5-chloro-2-thienyl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C19H21ClN6O2S MolecularWeight: 432.92704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=C(S4)Cl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C19H21ClN6O2S/c1-3-7-25-17-15(18(27)26(8-4-2)19(25)28)22-16(23-17)12-9-21-24(10-12)11-13-5-6-14(20)29-13/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,23)