3-azanyl-7-butyl-2-(2-chloroethyl)-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 3-azanyl-7-butyl-2-(2-chloroethyl)-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-amino-5-benzyl-7-butyl-2-(2-chloroethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 3-amino-7-butyl-2-(2-chloroethyl)-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 3-amino-5-benzyl-7-butyl-2-(2-chloroethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-amino-5-benzyl-7-butyl-2-(2-chloroethyl)pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NN(C(=C2C(=O)N(C1=O)CC3=CC=CC=C3)N)CCCl

Isomeric SMILES

CCCCN1C2=NN(C(=C2C(=O)N(C1=O)CC3=CC=CC=C3)N)CCCl

InChI

InChI=1S/C18H22ClN5O2/c1-2-3-10-22-16-14(15(20)24(21-16)11-9-19)17(25)23(18(22)26)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12,20H2,1H3