2-[[2,4-bis(azanyl)pteridin-7-yl]methylamino]-3-(phenylmethylsulfanyl)propan-1-ol

Systemtic Name: 2-[[2,4-bis(azanyl)pteridin-7-yl]methylamino]-3-(phenylmethylsulfanyl)propan-1-ol Openeye Name: 3-benzylsulfanyl-2-[(2,4-diaminopteridin-7-yl)methylamino]propan-1-ol CAS Name: 2-[(2,4-diamino-7-pteridinyl)methylamino]-3-(phenylmethylthio)-1-propanol IUPAC Name: 3-benzylsulfanyl-2-[(2,4-diaminopteridin-7-yl)methylamino]propan-1-ol Traditional Name: 3-(benzylthio)-2-[(2,4-diaminopteridin-7-yl)methylamino]propan-1-ol Formula: C17H21N7OS MolecularWeight: 371.45994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(CO)NCC2=CN=C3C(=NC(=NC3=N2)N)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(CO)NCC2=CN=C3C(=NC(=NC3=N2)N)N

InChI

InChI=1S/C17H21N7OS/c18-15-14-16(24-17(19)23-15)22-12(7-21-14)6-20-13(8-25)10-26-9-11-4-2-1-3-5-11/h1-5,7,13,20,25H,6,8-10H2,(H4,18,19,22,23,24)