N2,N5-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]pyrazine-2,5-dicarboxamide

Systemtic Name: N2,N5-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]pyrazine-2,5-dicarboxamide Openeye Name: N2,N5-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]pyrazine-2,5-dicarboxamide CAS Name: N2,N5-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]pyrazine-2,5-dicarboxamide IUPAC Name: 2-N,5-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]pyrazine-2,5-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]pyrazine-2,5-dicarboxamide Formula: C32H46N12O4 MolecularWeight: 662.78564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CN=C(C=N2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC(C)C

Isomeric SMILES

CC(C)CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CN=C(C=N2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC(C)C

InChI

InChI=1S/C32H46N12O4/c1-19(2)7-11-43-17-21(13-25(43)31(47)37-9-5-27(33)34)41-29(45)23-15-40-24(16-39-23)30(46)42-22-14-26(32(48)38-10-6-28(35)36)44(18-22)12-8-20(3)4/h13-20H,5-12H2,1-4H3,(H3,33,34)(H3,35,36)(H,37,47)(H,38,48)(H,41,45)(H,42,46)