6-azanyl-1-cyclopropyl-5-[2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetyl]pyrimidine-2,4-quinone Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C21H23N5O5S/c1-31-10-4-9-25-19(29)13-5-2-3-6-14(13)23-21(25)32-11-15(27)16-17(22)26(12-7-8-12)20(30)24-18(16)28/h2-3,5-6,12H,4,7-11,22H2,1H3,(H,24,28,30)