methyl 3-[(7S)-4-[(4-chlorophenyl)amino]-6-oxidanylidene-7,8-dihydro-5H-pteridin-7-yl]propanoate

Systemtic Name: methyl 3-[(7S)-4-[(4-chlorophenyl)amino]-6-oxidanylidene-7,8-dihydro-5H-pteridin-7-yl]propanoate Openeye Name: methyl 3-[(7S)-4-(4-chloroanilino)-6-oxo-7,8-dihydro-5H-pteridin-7-yl]propanoate CAS Name: 3-[(7S)-4-(4-chloroanilino)-6-oxo-7,8-dihydro-5H-pteridin-7-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(7S)-4-(4-chloroanilino)-6-oxo-7,8-dihydro-5H-pteridin-7-yl]propanoate Traditional Name: 3-[(7S)-4-(4-chloroanilino)-6-keto-7,8-dihydro-5H-pteridin-7-yl]propionic acid methyl ester Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C(=O)NC2=C(N1)N=CN=C2NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CC[C@H]1C(=O)NC2=C(N1)N=CN=C2NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN5O3/c1-25-12(23)7-6-11-16(24)22-13-14(18-8-19-15(13)21-11)20-10-4-2-9(17)3-5-10/h2-5,8,11H,6-7H2,1H3,(H,22,24)(H2,18,19,20,21)/t11-/m0/s1