1,7-dicyclopropyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,7-dicyclopropyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,7-dicyclopropyl-5-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,7-dicyclopropyl-5-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,7-dicyclopropyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,7-dicyclopropyl-5-[[5-(2-thienyl)isoxazol-3-yl]methylthio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCC5=NOC(=C5)C6=CC=CS6

Isomeric SMILES

C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCC5=NOC(=C5)C6=CC=CS6

InChI

InChI=1S/C20H17N5O3S2/c26-18-15-17(25(12-5-6-12)20(27)23-18)21-16(10-3-4-10)22-19(15)30-9-11-8-13(28-24-11)14-2-1-7-29-14/h1-2,7-8,10,12H,3-6,9H2,(H,23,26,27)