3-(furan-2-ylmethylamino)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione

Systemtic Name: 3-(furan-2-ylmethylamino)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Openeye Name: 3-(2-furylmethylamino)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione CAS Name: 3-(2-furanylmethylamino)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione IUPAC Name: 3-(furan-2-ylmethylamino)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Traditional Name: 3-(2-furfurylamino)-4,8,9,10-tetrahydropyrimid[4,5-c]isoquinoline-1,7-quinone Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C3C(=NC=C2C(=O)C1)NC(=NC3=O)NCC4=CC=CO4

Isomeric SMILES

C1CC2=C3C(=NC=C2C(=O)C1)NC(=NC3=O)NCC4=CC=CO4

InChI

InChI=1S/C16H14N4O3/c21-12-5-1-4-10-11(12)8-17-14-13(10)15(22)20-16(19-14)18-7-9-3-2-6-23-9/h2-3,6,8H,1,4-5,7H2,(H2,17,18,19,20,22)