6-phenethyl-1-prop-2-enyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: 6-phenethyl-1-prop-2-enyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: 1-allyl-6-phenethyl-4-(3-thienyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: 6-phenethyl-1-prop-2-enyl-4-(3-thiophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: 6-phenethyl-1-prop-2-enyl-4-thiophen-3-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: 1-allyl-6-phenethyl-4-(3-thienyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(NC1=O)C3=CSC=C3)C(=O)N(C2)CCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C2=C(C(NC1=O)C3=CSC=C3)C(=O)N(C2)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-2-10-24-17-13-23(11-8-15-6-4-3-5-7-15)20(25)18(17)19(22-21(24)26)16-9-12-27-14-16/h2-7,9,12,14,19H,1,8,10-11,13H2,(H,22,26)