2-azanyl-4-methylsulfanyl-1-(7,8,21,23-tetrahydroporphyrin-2-yl)butan-1-one

Systemtic Name: 2-azanyl-4-methylsulfanyl-1-(7,8,21,23-tetrahydroporphyrin-2-yl)butan-1-one Openeye Name: 2-amino-4-methylsulfanyl-1-(7,8,21,23-tetrahydroporphyrin-2-yl)butan-1-one CAS Name: 2-amino-4-(methylthio)-1-(7,8,21,23-tetrahydroporphyrin-2-yl)-1-butanone IUPAC Name: 2-amino-4-methylsulfanyl-1-(7,8,21,23-tetrahydroporphyrin-2-yl)butan-1-one Traditional Name: 2-amino-4-(methylthio)-1-(7,8,21,23-tetrahydroporphin-2-yl)butan-1-one Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C2C=C3C=CC(=N3)C=C4C=CC(=CC5=NC(=CC(=C1)N2)CC5)N4)N

Isomeric SMILES

CSCCC(C(=O)C1=C2C=C3C=CC(=N3)C=C4C=CC(=CC5=NC(=CC(=C1)N2)CC5)N4)N

InChI

InChI=1S/C25H25N5OS/c1-32-9-8-23(26)25(31)22-13-21-12-19-5-4-17(28-19)10-15-2-3-16(27-15)11-18-6-7-20(29-18)14-24(22)30-21/h2-3,6-7,10-14,23,27,30H,4-5,8-9,26H2,1H3