4-(2-azanylethylamino)-2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]-8H-pteridin-7-one

Systemtic Name: 4-(2-azanylethylamino)-2-[(3-chloranyl-4-methoxy-phenyl)methylsulfanyl]-8H-pteridin-7-one Openeye Name: 4-(2-aminoethylamino)-2-[(3-chloro-4-methoxy-phenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 4-(2-aminoethylamino)-2-[(3-chloro-4-methoxyphenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 4-(2-aminoethylamino)-2-[(3-chloro-4-methoxyphenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 4-(2-aminoethylamino)-2-[(3-chloro-4-methoxy-benzyl)thio]-8H-pteridin-7-one Formula: C16H17ClN6O2S MolecularWeight: 392.86318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=C(C(=N2)NCCN)N=CC(=O)N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=C(C(=N2)NCCN)N=CC(=O)N3)Cl

InChI

InChI=1S/C16H17ClN6O2S/c1-25-11-3-2-9(6-10(11)17)8-26-16-22-14(19-5-4-18)13-15(23-16)21-12(24)7-20-13/h2-3,6-7H,4-5,8,18H2,1H3,(H2,19,21,22,23,24)