6-[1-(phenylmethyl)pyrazol-4-yl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 6-[1-(phenylmethyl)pyrazol-4-yl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione CAS Name: 6-[1-(phenylmethyl)-4-pyrazolyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-quinone Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=C2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=C2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-3-10-26-19-12-18(24-20(19)21(28)27(11-4-2)22(26)29)17-13-23-25(15-17)14-16-8-6-5-7-9-16/h5-9,12-13,15,24H,3-4,10-11,14H2,1-2H3