6-azanyl-1-cyclopropyl-5-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]-1-cyclopropyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]-1-cyclopropylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]-1-cyclopropylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]-1-cyclopropyl-pyrimidine-2,4-quinone Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5=CC=CC=C5)N

InChI

InChI=1S/C23H20N6O3S/c24-19-18(21(31)28-23(32)29(19)14-10-11-14)17(30)12-33-22-26-16-9-5-4-8-15(16)20(27-22)25-13-6-2-1-3-7-13/h1-9,14H,10-12,24H2,(H,25,26,27)(H,28,31,32)